COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -6.376  -0.321   1.093  1.00  0.00          Br  
HETATM    2  O   UNL     1       0.711  -0.211   1.818  1.00  0.00           O  
HETATM    3  O   UNL     1       0.492   0.842  -3.066  1.00  0.00           O  
HETATM    4  N   UNL     1       1.475  -4.101   0.252  1.00  0.00           N  
HETATM    5  N   UNL     1      -1.749   0.509  -2.647  1.00  0.00           N  
HETATM    6  C   UNL     1       1.515  -0.330   0.643  1.00  0.00           C  
HETATM    7  C   UNL     1       1.168   0.800  -0.329  1.00  0.00           C  
HETATM    8  C   UNL     1       1.245  -1.679  -0.026  1.00  0.00           C  
HETATM    9  C   UNL     1       2.971  -0.239   1.020  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.247   0.627  -0.816  1.00  0.00           C  
HETATM   11  C   UNL     1       1.615  -2.809   0.937  1.00  0.00           C  
HETATM   12  C   UNL     1       1.299   2.126   0.375  1.00  0.00           C  
HETATM   13  C   UNL     1       3.964  -0.335   0.030  1.00  0.00           C  
HETATM   14  C   UNL     1       3.331  -0.058   2.319  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.259   0.441   0.078  1.00  0.00           C  
HETATM   16  C   UNL     1       5.329  -0.248   0.404  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.525   0.656  -2.188  1.00  0.00           C  
HETATM   18  C   UNL     1       2.213   3.060  -0.075  1.00  0.00           C  
HETATM   19  C   UNL     1       0.500   2.410   1.466  1.00  0.00           C  
HETATM   20  C   UNL     1       4.673   0.029   2.687  1.00  0.00           C  
HETATM   21  C   UNL     1       3.631  -0.517  -1.324  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.569   0.283  -0.419  1.00  0.00           C  
HETATM   23  C   UNL     1       5.662  -0.066   1.757  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.784   0.324  -1.818  1.00  0.00           C  
HETATM   25  C   UNL     1       2.044  -5.189   1.059  1.00  0.00           C  
HETATM   26  C   UNL     1       0.071  -4.372  -0.081  1.00  0.00           C  
HETATM   27  C   UNL     1       6.322  -0.344  -0.586  1.00  0.00           C  
HETATM   28  C   UNL     1       2.333   4.276   0.571  1.00  0.00           C  
HETATM   29  C   UNL     1       0.619   3.626   2.112  1.00  0.00           C  
HETATM   30  C   UNL     1       4.620  -0.607  -2.254  1.00  0.00           C  
HETATM   31  C   UNL     1       1.538   4.559   1.666  1.00  0.00           C  
HETATM   32  C   UNL     1       5.962  -0.520  -1.887  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.657   0.089   0.445  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.089   0.167  -2.314  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.910  -0.059  -0.072  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.123  -0.020  -1.449  1.00  0.00           C  
HETATM   37  C   UNL     1       0.155   0.864  -4.454  1.00  0.00           C  
HETATM   38  H   UNL     1       0.941   0.543   2.378  1.00  0.00           H  
HETATM   39  H   UNL     1       1.058   1.019  -5.045  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.303  -0.086  -4.732  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.548   1.675  -4.645  1.00  0.00           H  
HETATM   42  H   UNL     1       0.951  -2.782   1.801  1.00  0.00           H  
HETATM   43  H   UNL     1       2.646  -2.682   1.266  1.00  0.00           H  
HETATM   44  H   UNL     1       1.524  -5.242   2.015  1.00  0.00           H  
HETATM   45  H   UNL     1       1.928  -6.134   0.529  1.00  0.00           H  
HETATM   46  H   UNL     1       3.103  -4.997   1.232  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.306  -3.587  -0.736  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.004  -5.335  -0.587  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.521  -4.396   0.834  1.00  0.00           H  
HETATM   50  H   UNL     1       1.851   0.771  -1.179  1.00  0.00           H  
HETATM   51  H   UNL     1       0.188  -1.752  -0.283  1.00  0.00           H  
HETATM   52  H   UNL     1       1.845  -1.763  -0.932  1.00  0.00           H  
HETATM   53  H   UNL     1       2.566   0.020   3.077  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.062   0.415   1.140  1.00  0.00           H  
HETATM   55  H   UNL     1       2.835   2.839  -0.930  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.218   1.682   1.814  1.00  0.00           H  
HETATM   57  H   UNL     1       2.596  -0.586  -1.623  1.00  0.00           H  
HETATM   58  H   UNL     1       4.932   0.174   3.725  1.00  0.00           H  
HETATM   59  H   UNL     1       6.697   0.002   2.056  1.00  0.00           H  
HETATM   60  H   UNL     1       7.365  -0.279  -0.316  1.00  0.00           H  
HETATM   61  H   UNL     1       3.048   5.006   0.221  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.005   3.849   2.965  1.00  0.00           H  
HETATM   63  H   UNL     1       4.361  -0.746  -3.293  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.504   0.057   1.513  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.271   0.196  -3.378  1.00  0.00           H  
HETATM   66  H   UNL     1       6.727  -0.594  -2.645  1.00  0.00           H  
HETATM   67  H   UNL     1       1.631   5.509   2.171  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.125  -0.139  -1.835  1.00  0.00           H  
CONECT    1   35                                                      
CONECT    2    6   38                                                 
CONECT    3   17   37                                                 
CONECT    4   11   25   26                                            
CONECT    5   17   17   24                                            
CONECT    6    2    7    8    9                                       
CONECT    7    6   10   12   50                                       
CONECT    8    6   11   51   52                                       
CONECT    9    6   13   14   14                                       
CONECT   10    7   15   15   17                                       
CONECT   11    4    8   42   43                                       
CONECT   12    7   18   19   19                                       
CONECT   13    9   16   16   21                                       
CONECT   14    9    9   20   53                                       
CONECT   15   10   10   22   54                                       
CONECT   16   13   13   23   27                                       
CONECT   17    3    5    5   10                                       
CONECT   18   12   28   28   55                                       
CONECT   19   12   12   29   56                                       
CONECT   20   14   23   23   58                                       
CONECT   21   13   30   30   57                                       
CONECT   22   15   24   33   33                                       
CONECT   23   16   20   20   59                                       
CONECT   24    5   22   34   34                                       
CONECT   25    4   44   45   46                                       
CONECT   26    4   47   48   49                                       
CONECT   27   16   32   32   60                                       
CONECT   28   18   18   31   61                                       
CONECT   29   19   31   31   62                                       
CONECT   30   21   21   32   63                                       
CONECT   31   28   29   29   67                                       
CONECT   32   27   27   30   66                                       
CONECT   33   22   22   35   64                                       
CONECT   34   24   24   36   65                                       
CONECT   35    1   33   36   36                                       
CONECT   36   34   35   35   68                                       
CONECT   37    3   39   40   41                                       
CONECT   38    2                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
CONECT   41   37                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   21                                                      
CONECT   58   20                                                      
CONECT   59   23                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   32                                                      
CONECT   67   31                                                      
CONECT   68   36                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
